3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione

C25H23N3O5S — CID 23120072

IUPAC3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(CCO)c2c(=O)n1-c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C25H23N3O5S/c29-15-13-18-7-3-11-21-23(18)24(30)28(25(31)26-21)19-9-4-10-20(16-19)34(32,33)27-14-5-8-17-6-1-2-12-22(17)27/h1-4,6-7,9-12,16,29H,5,8,13-15H2,(H,26,31)
InChIKeyYXRTUQMFSYMFGW-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.36
Rot. Bonds5

About 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione

3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione (PubChem CID 23120072) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione
PubChem CID23120072
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(CCO)c2c(=O)n1-c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C25H23N3O5S/c29-15-13-18-7-3-11-21-23(18)24(30)28(25(31)26-21)19-9-4-10-20(16-19)34(32,33)27-14-5-8-17-6-1-2-12-22(17)27/h1-4,6-7,9-12,16,29H,5,8,13-15H2,(H,26,31)
InChIKeyYXRTUQMFSYMFGW-UHFFFAOYSA-N
XLogP2.36
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(hydroxyiminomethyl)-1H-quinazoline-2,4-dione
CID 86609978
tert-butyl 2-[[2-[3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,4-dioxo-1H-quinazolin-5-yl]acetyl]amino]acetate
CID 23120169
ethyl 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 68920511
3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione
CID 23119873
3-[3-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione
CID 23120272
3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione
CID 23120443
2-trimethylsilylethyl 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-2,4-dioxo-1H-quinazoline-5-carboxylate
CID 23119984
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
5-chloro-3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfinyl)phenyl]-1H-quinazoline-2,4-dione
CID 147678966
3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 59310085
3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-7-methyl-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
CID 58022266
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415750

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione (CID 23120072) is 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cccc(CCO)c2c(=O)n1-c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione?
The InChIKey is YXRTUQMFSYMFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c29-15-13-18-7-3-11-21-23(18)24(30)28(25(31)26-21)19-9-4-10-20(16-19)34(32,33)27-14-5-8-17-6-1-2-12-22(17)27/h1-4,6-7,9-12,16,29H,5,8,13-15H2,(H,26,31).
What are the key properties of 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione?
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione has a molecular weight of 477.54 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 23120072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).